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4-Methylene-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 4-tert-butylbenzoate
SpectraBase Compound ID 6iTS1jnTypu
InChI InChI=1S/C16H21O5P/c1-15(2,3)13-6-4-12(5-7-13)14(17)18-8-16-9-20-22(11-19-16)21-10-16/h4-7H,8-11H2,1-3H3
InChIKey SELAEPADKGMCEX-UHFFFAOYSA-N
Mol Weight 324.31 g/mol
Molecular Formula C16H21O5P
Exact Mass 324.112661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPkywrDif3Z
Name 4-Methylene-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 4-tert-butylbenzoate
Alternate Name(s) 2,5,7-trioxa-1-phosphabicyclo[2.2.2]oct-4-ylmethyl 4-tert-butylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21O5P
InChI InChI=1S/C16H21O5P/c1-15(2,3)13-6-4-12(5-7-13)14(17)18-8-16-9-20-22(11-19-16)21-10-16/h4-7H,8-11H2,1-3H3
InChIKey SELAEPADKGMCEX-UHFFFAOYSA-N
Molecular Weight 324.313 g/mol
SMILES C1OP2COC1(COC(c1ccc(C(C)(C)C)cc1)=O)CO2
SPLASH splash10-00ov-7900000000-6dd99c15a69101523c94
Source of Spectrum OV-23-1989-4
Wiley ID 1578076